SCHEMBL12864217

SCHEMBL12864217

Cc1cccc(C(=O)c2cc(C(=O)c3cccc(C)c3)cc(C3(c4cc(C(=O)c5cccc(C)c5)cc(C(=O)c5cccc(C)c5)c4)c4ccccc4-c4ccccc43)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ VNN1 O95497 4/20 0.46
▸ CNR2 P34972 3/20 0.45
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PDK2 Q15119 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2605973 0.92 VNN1 (0.41) POLBVNN1CNR2ATMTDP1
SCHEMBL12864215 0.90 ESR1 (0.46) POLBVNN1ATMTDP1L3MBTL1
SCHEMBL2605984 0.85 ALDH1A1 (0.48) CNR2ATMTDP1L3MBTL1ESR1
SCHEMBL1167840 0.85 TDP1 (0.52) POLBCNR2ATMTDP1L3MBTL1
SCHEMBL12864224 0.83 CES2 (0.45) POLBATMTDP1L3MBTL1ESR1
SCHEMBL12864305 0.83 TDP1 (0.47) CNR2ATMTDP1L3MBTL1PDK2
SCHEMBL12864218 0.78 ESR1 (0.48) POLBESR1ESR2SMN1; SMN2KMT2A
SCHEMBL851207 0.78 ATM (0.72) POLBVNN1CNR2ATMTDP1
SCHEMBL12864223 0.78 CNR1 (0.41) POLBVNN1CNR2ATMTDP1
SCHEMBL15264066 0.78 PARP1 (0.65) POLBCNR2ATMTDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 POLB 873/4885VNN1 3279/4885CNR2 4388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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